CID 71953

Buquineran

Structural Information

Molecular Formula
C20H29N5O3
SMILES
CCCCNC(=O)NC1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C20H29N5O3/c1-4-5-8-21-20(26)24-14-6-9-25(10-7-14)19-15-11-17(27-2)18(28-3)12-16(15)22-13-23-19/h11-14H,4-10H2,1-3H3,(H2,21,24,26)
InChIKey
CPZHDDGPHQRMEJ-UHFFFAOYSA-N
Compound name
1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

262
Patents

387.22705 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23433 194.9
[M+Na]+ 410.21627 198.7
[M-H]- 386.21977 197.3
[M+NH4]+ 405.26087 202.6
[M+K]+ 426.19021 194.6
[M+H-H2O]+ 370.22431 183.3
[M+HCOO]- 432.22525 210.4
[M+CH3COO]- 446.24090 226.7
[M+Na-2H]- 408.20172 197.5
[M]+ 387.22650 194.9
[M]- 387.22760 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe